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selectivity and permeability and ultrahigh water permeability combined with high salt rejection. The objective of this work is to construct atomistic models of MOFs/Polymers and Artificial Water-Channel
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samples for the study. Further development will be granted by the dialog with advanced atomistic simulations (ab initio and tight-binding) carried out in the laboratory and the lively context offered by
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deformation behaviors. This will be supported by numerical simulations developed by the LEM where nanoindentation simulations at the atomic scale will be performed by Molecular Dynamic (MD) as well as finite
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composition and atomistic modeling of materials. The main activities will include: - formulating new descriptors of critical temperature (Tc) incorporating electronic fluctuation effects, evaluated by
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problems. Its members are active in the fields of docking, atomistic and coarse-grained simulations tackling problems such as protein/protein and protein/DNA interactions, dynamics and function
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recognized for developing and applying computational methodologies to solve biologically relevant problems. Its members are active in the fields of docking, atomistic and coarse-grained simulations tackling